<i>In Silico</i> Assessment and Molecular Docking Studies of Some Phyto-Triterpenoid for Potential Disruption of Mortalin-p53 Interaction
Human hepatocellular carcinoma (HCC), the most common type of liver cancer, represents the second most common cause of death from cancer worldwide. The high toxicity and side effects of some cancer chemotherapy drugs increase the demand for new anti-cancer drugs from natural products. Mortalin/mtHsp...
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2021
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oai:doaj.org-article:cbc44523f73045929d95d4dfa97c28072021-11-25T18:51:13Z<i>In Silico</i> Assessment and Molecular Docking Studies of Some Phyto-Triterpenoid for Potential Disruption of Mortalin-p53 Interaction10.3390/pr91119832227-9717https://doaj.org/article/cbc44523f73045929d95d4dfa97c28072021-11-01T00:00:00Zhttps://www.mdpi.com/2227-9717/9/11/1983https://doaj.org/toc/2227-9717Human hepatocellular carcinoma (HCC), the most common type of liver cancer, represents the second most common cause of death from cancer worldwide. The high toxicity and side effects of some cancer chemotherapy drugs increase the demand for new anti-cancer drugs from natural products. Mortalin/mtHsp70, a stress response protein, has been reported to contribute to the process of carcinogenesis in several ways, including the inhibition of the transcriptional activation of p53. This study conducted a molecular docking study of 41 phyto triterpenes originated from Vietnamese plants for potential Mortalin inhibition activity. Nine compounds were considered as promising inhibitors based on the analysis of binding affinity and drug-like and pharmacokinetic properties.Minh Quan PhamThuy Huong Le ThiQuoc Long PhamLe Thi LeHuy Toan DaoThanh Le Thi DangDung Thuy Nguyen PhamHai Ha Pham ThiMDPI AGarticletriterpenoidmolecular dockingp53anti-cancerChemical technologyTP1-1185ChemistryQD1-999ENProcesses, Vol 9, Iss 1983, p 1983 (2021) |
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| topic |
triterpenoid molecular docking p53 anti-cancer Chemical technology TP1-1185 Chemistry QD1-999 |
| spellingShingle |
triterpenoid molecular docking p53 anti-cancer Chemical technology TP1-1185 Chemistry QD1-999 Minh Quan Pham Thuy Huong Le Thi Quoc Long Pham Le Thi Le Huy Toan Dao Thanh Le Thi Dang Dung Thuy Nguyen Pham Hai Ha Pham Thi <i>In Silico</i> Assessment and Molecular Docking Studies of Some Phyto-Triterpenoid for Potential Disruption of Mortalin-p53 Interaction |
| description |
Human hepatocellular carcinoma (HCC), the most common type of liver cancer, represents the second most common cause of death from cancer worldwide. The high toxicity and side effects of some cancer chemotherapy drugs increase the demand for new anti-cancer drugs from natural products. Mortalin/mtHsp70, a stress response protein, has been reported to contribute to the process of carcinogenesis in several ways, including the inhibition of the transcriptional activation of p53. This study conducted a molecular docking study of 41 phyto triterpenes originated from Vietnamese plants for potential Mortalin inhibition activity. Nine compounds were considered as promising inhibitors based on the analysis of binding affinity and drug-like and pharmacokinetic properties. |
| format |
article |
| author |
Minh Quan Pham Thuy Huong Le Thi Quoc Long Pham Le Thi Le Huy Toan Dao Thanh Le Thi Dang Dung Thuy Nguyen Pham Hai Ha Pham Thi |
| author_facet |
Minh Quan Pham Thuy Huong Le Thi Quoc Long Pham Le Thi Le Huy Toan Dao Thanh Le Thi Dang Dung Thuy Nguyen Pham Hai Ha Pham Thi |
| author_sort |
Minh Quan Pham |
| title |
<i>In Silico</i> Assessment and Molecular Docking Studies of Some Phyto-Triterpenoid for Potential Disruption of Mortalin-p53 Interaction |
| title_short |
<i>In Silico</i> Assessment and Molecular Docking Studies of Some Phyto-Triterpenoid for Potential Disruption of Mortalin-p53 Interaction |
| title_full |
<i>In Silico</i> Assessment and Molecular Docking Studies of Some Phyto-Triterpenoid for Potential Disruption of Mortalin-p53 Interaction |
| title_fullStr |
<i>In Silico</i> Assessment and Molecular Docking Studies of Some Phyto-Triterpenoid for Potential Disruption of Mortalin-p53 Interaction |
| title_full_unstemmed |
<i>In Silico</i> Assessment and Molecular Docking Studies of Some Phyto-Triterpenoid for Potential Disruption of Mortalin-p53 Interaction |
| title_sort |
<i>in silico</i> assessment and molecular docking studies of some phyto-triterpenoid for potential disruption of mortalin-p53 interaction |
| publisher |
MDPI AG |
| publishDate |
2021 |
| url |
https://doaj.org/article/cbc44523f73045929d95d4dfa97c2807 |
| work_keys_str_mv |
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